CMLD012072

CAT: 0013-GTR19206189-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19206189-02Size:50 mg

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Description

CMLD012072 is a potent small molecule inhibitor of eukaryotic initiation factors 4A1 and 4A2 (eIF4A1/2), exhibiting anti-neoplastic activity by inducing RNA clamping. It serves as a valuable chemical probe for studying translation initiation in cancer research, demonstrating efficacy in both cellular and in vivo models.

CAS Number

2368900-33-6

Field of Research

Cell Biology

Smiles

O[C@@]12[C@@]3 ([C@] ([C@@H] ([C@H]1C (OC) =O) C4=CC=CC=C4) (OC=5C3=C (OC) C=C (OC) C5) C6=CC=C (OC) C=C6) NC (=N2) C7CC7

Molecular Formula

C32H32N2O7

Molecular Weight

556.61

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

methyl (1R,9R,10S,11R,12R)-14-cyclopropyl-12-hydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,15-diazatetracyclo[7.6.0.01,12.02,7]pentadeca-2(7),3,5,14-tetraene-11-carboxylate

CAS Number	2368900-33-6
PubChem CID	145712380
IUPAC Name	methyl (1R,9R,10S,11R,12R)-14-cyclopropyl-12-hydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,15-diazatetracyclo[7.6.0.01,12.02,7]pentadeca-2(7),3,5,14-tetraene-11-carboxylate
Molecular Formula	C32H32N2O7
Molecular Weight	556.6
XLogP	3.4
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	41
Formal Charge	0
Complexity	1040

SMILES

COC1=CC=C(C=C1)[C@]23[C@@H]([C@H]([C@]4([C@]2(C5=C(O3)C=C(C=C5OC)OC)N=C(N4)C6CC6)O)C(=O)OC)C7=CC=CC=C7

InChI

InChI=1S/C32H32N2O7/c1-37-21-14-12-20(13-15-21)30-25(18-8-6-5-7-9-18)27(29(35)40-4)32(36)31(30,33-28(34-32)19-10-11-19)26-23(39-3)16-22(38-2)17-24(26)41-30/h5-9,12-17,19,25,27,36H,10-11H2,1-4H3,(H,33,34)/t25-,27+,30+,31-,32-/m1/s1

InChIKey

KAEUWSZLWVZGMK-GAFFYMCOSA-N

Chemical Structure

2D Structure

CAS: 2368900-33-6

CID: 145712380

Formula: C32H32N2O7

MW: 556.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	556.6
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	556.22095136
Monoisotopic Mass	556.22095136
Topological Polar Surface Area	108 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	1040
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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GTR19206188-01	CMLD012073
GTR19206187-01	CMLD012612

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T10847-01	CMLD012072

CMLD012072

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